Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4192019

COC[C@H]1CCN1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL4189541 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL16399051 1.00 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL92623 0.80
SCHEMBL12730918 0.80
SCHEMBL72160 0.80
Hydrochloric Acid SCHEMBL25291895 0.78
Hydrochloric Acid SCHEMBL12487061 0.78
Hydrochloric Acid SCHEMBL12487057 0.78
Trifluoroacetic Acid SCHEMBL5560100 0.77 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL4491273 0.77 CHRNB2 (0.40) CHRNB2CHRNA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107892684-B Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments 锦州奥鸿药业有限责任公司 2020-05-26 CN disclosed
US-10053449-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 US disclosed
US-20170267663-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS FOCHON PHARMACEUTICALS, LTD. (CN) 2017-09-21 US disclosed
US-9714235-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-07-25 US disclosed
US-20160168129-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2016-06-16 US disclosed
EP-3022186-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2016-05-25 EP disclosed
WO-2015007219-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-01-22 WO disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170267663-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS ABL1, MAP4K2, DMPK CHRNB2 2196/4885CHRNA4 1928/4885CHRNA3 1418/4885
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 CHRNB2 1617/4885CHRNA4 1742/4885CHRNA3 2101/4885
US-20160168129-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS ABL1, MAP4K2, DMPK CHRNB2 2196/4885CHRNA4 1928/4885CHRNA3 1418/4885
US-10053449-B2 Quinazoline derivatives, compositions thereof, and use as pharmaceuticals ABL1, MAP4K2, DMPK CHRNB2 2196/4885CHRNA4 1928/4885CHRNA3 1418/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.